CID 2360195

2-chloroimidazo[1,2-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CC2=NC(=C(N2C=C1)C(=O)O)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-7-6(8(12)13)11-4-2-1-3-5(11)10-7/h1-4H,(H,12,13)
InChIKey
CPVGSYXZACHSFJ-UHFFFAOYSA-N
Compound name
2-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

16
Patents

196.00395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01123 134.8
[M+Na]+ 218.99317 147.2
[M-H]- 194.99667 136.5
[M+NH4]+ 214.03777 154.9
[M+K]+ 234.96711 142.7
[M+H-H2O]+ 179.00121 129.0
[M+HCOO]- 241.00215 152.7
[M+CH3COO]- 255.01780 178.4
[M+Na-2H]- 216.97862 141.6
[M]+ 196.00340 138.8
[M]- 196.00450 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe